General Information of the Compound
| Compound ID |
CP0391380
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| Compound Name |
1-[3,5-dimethyl-4-[2-[[4-oxo-2-[4-(trifluoromethoxy)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]phenyl]-5,5-diethylimidazolidine-2,4-dione
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| Structure |
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| Formula |
C31H36F3N5O6S
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| Molecular Weight |
663.719
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| Canonical SMILES |
CCC1(CC)N(C(=O)NC1=O)c1cc(C)c(CCS(=O)(=O)N2CCC3(CC2)N=C(NC3=O)c2ccc(OC(F)(F)F)cc2)c(C)c1
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| InChI |
InChI=1S/C31H36F3N5O6S/c1-5-30(6-2)27(41)36-28(42)39(30)22-17-19(3)24(20(4)18-22)11-16-46(43,44)38-14-12-29(13-15-38)26(40)35-25(37-29)21-7-9-23(10-8-21)45-31(32,33)34/h7-10,17-18H,5-6,11-16H2,1-4H3,(H,35,37,40)(H,36,41,42)
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| InChIKey |
DHORDYKHWHRVDT-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound